2,5-dimethyl 4-chloropyridine-2,5-dicarboxylate

2,5-dimethyl 4-chloropyridine-2,5-dicarboxylate

CAS: 1227945-09-6

Formula: C9H8ClNO4

SMILES: COC(=O)C1=NC=C(C(=O)OC)C(Cl)=C1

IUPAC: 2,5-dimethyl 4-chloropyridine-2,5-dicarboxylate

InChI: InChI=1S/C9H8ClNO4/c1-14-8(12)5-4-11-7(3-6(5)10)9(13)15-2/h3-4H,1-2H3

Composition: C (47.08%), H (3.51%), Cl (15.44%), N (6.10%), O (27.87%)

Molar Mass: 229.62

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	229.0141854
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	KSVZJSRVRPYAIE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.38
Topological Polar Surface Area	65.49
Polarizability	20.35
Ring Count	1
Rotatable Bond Count	4

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